Mrv1902 02031922272D          

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M  END
> <DATABASE_ID>
DB01234

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

> <INCHI_KEY>
UREBDLICKHMUKA-CXSFZGCWSA-N

> <FORMULA>
C22H29FO5

> <MOLECULAR_WEIGHT>
392.4611

> <EXACT_MASS>
392.199902243

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
40.709708692604025

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

> <ALOGPS_LOGP>
1.93

> <JCHEM_LOGP>
1.6815696796666673

> <ALOGPS_LOGS>
-3.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.482283372225584

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.424778249663545

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3301756738658193

> <JCHEM_POLAR_SURFACE_AREA>
94.83000000000001

> <JCHEM_REFRACTIVITY>
102.49289999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
saquinavir

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01234

> <SECONDARY_ACCESSION_NUMBERS>
APRD00674

> <DRUG_GROUPS>
approved; investigational; vet_approved

> <GENERIC_NAME>
Dexamethasone

> <SYNONYMS>
1-Dehydro-16alpha-methyl-9alpha-fluorohydrocortisone; 1-Dehydro-16α-methyl-9α-fluorohydrocortisone; 16alpha-Methyl-9alpha-fluoro-1-dehydrocortisol; 16α-Methyl-9α-fluoro-1-dehydrocortisol; 9alpha-Fluoro-16alpha-methylprednisolone; 9α-Fluoro-16α-methylprednisolone; Dexametasona; Dexamethasone; Dexaméthasone; Dexamethasonum

> <PRODUCTS>
999 Itch Relief; AK-Trol; Accufix II Dec Model 033-212; Apo-dexamethasone; Baycadron; Ciprodex; Ciprofloxacin and Dexamethasone; Ciprofloxacin and dexamethasone; Cortaren Corticosteroid/Anti-Inflammatory System; Cresophene Liq; Cushings Syndrome Diagnostic; DEXAMETHASONE 6-Day; DEXAMETHASONE Sodium Phosphate; Decadron; Decadron DP; Decadron Phosphate Eye Ear Sol 0.1%; Decadron Phosphate Inj 4mg/ml; Decadron Tab 0.5mg; Decadron Tab 4mg; Dex-Moxi; Dex-Moxi PF; Dex-Moxi-Ketor; DexMoxiKetor PF; Dexabliss; Dexamethasone; Dexamethasone 1.5 mg; Dexamethasone Intensol; Dexamethasone Omega Unidose; Dexamethasone Sod Phos Inj 4mg/ml; Dexamethasone Sod Phosph Inj 10mg/ml USP; Dexamethasone Sodium Phosphate; Dexamethasone Sodium Phosphate 0.1%; Dexamethasone Sodium Phosphate 0.1% / Finasteride 0.1% / Minoxidil 5%; Dexamethasone Sodium Phosphate 0.1% / Finasteride 0.1% / Minoxidil 5% / Tretinoin 0.025%; Dexamethasone Sodium Phosphate Inj USP 4mg/ml; Dexamethasone Sodium Phosphate Injection Sdz; Dexamethasone Sodium Phosphate Injection, USP; Dexamethasone Sodium Phosphates; Dexamethasone Tablets; Dexamethasone Unidose; Dexamethasone-omega; Dexamethsone; Dexasone 0.5mg; Dexasone 0.75mg; Dexasone 4mg; Dexlido Kit; Dexlido-M Kit; Dexopin; Dextenza; Dexycu; Dioptrol Ointment; Dioptrol Suspension; Dmt Suik; Dom-dexamethasone Tablet 4mg; DoubleDex Kit; Dxevo; Encor Dec Model 033-159 Imp 0.5mg/imp; Encor Dec Model 033-443 Imp 0.5mg/imp; Encor Dec Model 033-448 Imp 0.5mg/imp; Encor Dec Model 033-757 Imp 0.5mg/imp; Encor Dec Model 033-856 Imp 0.5mg/imp; Gati-Dex; Hemady; Hexadrol Phosphate; Hexadrol Phosphate Inj 10mg/ml; Hexadrol Phosphate Inj 4mg/ml; HiDex 6-day; Levodexa; LoCort 11-Day; LoCort 7-Day; Ludaxine; Mardex 25 Kit; Mas Care-pak Dexamethasone; Maxidex; Maxitrol; Methedex; Neo-poly-dex; Neo/Poly-B/Dex Ophth Oint; Neodecadron Eye Ear Soln 0.1%; Neofordex; Neomycin Polymyxin B Sulfates and Dexamethasone; Neomycin Sulfate, Polymyxin B Sulfate and Dexamethasone; Neomycin and Polymyxin B Sulfates and Dexamethasone; Netildex; Neuromaquel Neuroma/Anti-Inflammatory System; Npd; Ocudex Liq 0.1%; Odan-dexamethasone; Odan-dexamethasone Elixir; Odan-trol; Ozurdex; PHL-dexamethasone; PMS-dexamethasone; PMS-dexamethasone Elixir; PMS-dexamethasone Sod Phosphate Dps 1mg/ml; PMS-dexamethasone Sod Phosphate Inj 10mg/ml; PMS-dexamethasone Sod Phosphate Inj 4mg/ml; Pro-dexamethasone - 4; R.O.-dexsone; Ratio-dexamethasone; Ratio-dexamethasone Tablets, USP; ReadySharp Anesthetics plus Dexamethasone; ReadySharp Dexamethasone; Ropidex; Sandoz Ciprofloxacin / Dexamethasone; Sandoz Dexamethasone; Sandoz Tobramycin / Dexamethasone; Sofracort Ear/eye Ointment; Sofracort Sterile Ear/eye Ointment; TaperDex 12-day; TaperDex 6-day; TaperDex 7-day; Taro-ciprofloxacin/dexamethasone; TobraDex; Tobradex; Tobradex ST; Tobramycin and Dexamethasone; Tobramycin and dexamethasone; TopiDex; Viadox; Zcort; Zema Pak; ZoDex; ZonaCort 11-Day; ZonaCort 7-Day

> <SALTS>
Dexamethasone phosphate; Dexamethasone sodium phosphate

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